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Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158)

Analyse Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6SZ3
Type
protein
Length
321 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yth domain-containing protein 1
UniProt
Q96MU7
Ligands
M1H, SO4
Pockets
7 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYth domain-containing protein 1protein15734% helix, 26% strandQ96MU7
BYth domain-containing protein 1protein16433% helix, 26% strandQ96MU7

Ligands and binding sites

  • M1H · ~{N}-methyl-5,6,7,8-tetrahydroquinolin-4-amine · ligand · 2 copies · chains B
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12600.580.7931M1H
2790.440.8017empty
3850.440.7916empty
4990.430.7815empty
51100.420.7617empty

Interfaces

1 interface between chains.

  • A–B · 304 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6SZ3 · Crystal structure of YTHDC1 with fragment 4 (DHU_DC1_158) · the same entry in another collection · chain A against A, TM-score 1.00

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